brucine


SMILES COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2
InChIKey RRKTZKIUPZVBMF-IBTVXLQLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 394.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
D2 DRD2 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 8.17 8.17 8.17 Drug Central
D2 DRD2 Rat Dopamine A pIC50 6.7 6.7 6.7 ChEMBL